LAMMPS (29 Jun 2012)
# Crack growth in notched 3D Peridynamic block

# Mesh spacing
variable    	h equal 5.00e-4
# Peridynamic horizon
variable    	delta equal 3.0*${h}
variable    	delta equal 3.0*0.00050000000000000001041
# Height of plate (meters)
variable    	height equal 31.5*${h}
variable    	height equal 31.5*0.00050000000000000001041
# Width of plate (meters)
variable    	width equal 39.5*${h}
variable    	width equal 39.5*0.00050000000000000001041
# Thickness of plate (meters)
variable    	depth equal 24.5*${h}
variable    	depth equal 24.5*0.00050000000000000001041
# Height of notch
variable	crackheight equal 10*${h}
variable	crackheight equal 10*0.00050000000000000001041
# Density of plate
variable	mydensity equal 2440.0
# Elastic modulus of material
variable	myE equal 72.0e9
# Strain energy release rate at branching
variable	myG equal 135.0
# constant, but define it as a variable here
variable    	pi equal 3.14159265358979323846

units 		si
boundary        s s s
atom_style      peri
atom_modify	map array
variable 	myskin equal 2.0*${h}
variable 	myskin equal 2.0*0.00050000000000000001041
neighbor	${myskin} bin
neighbor	0.0010000000000000000208 bin

lattice         sc $h
lattice         sc 0.00050000000000000001041
Lattice spacing in x,y,z = 0.0005 0.0005 0.0005
variable	myxmin equal 0.0
variable	myxmax equal ${width}
variable	myxmax equal 0.019750000000000000194
variable	myymin equal 0.0
variable	myymax equal ${height}
variable	myymax equal 0.015750000000000000111
variable	myzmin equal 0.0
variable	myzmax equal ${depth}
variable	myzmax equal 0.012250000000000000472
region          plate block 		${myxmin} ${myxmax} ${myymin} ${myymax} ${myzmin} ${myzmax} 		units box
region          plate block 		0 ${myxmax} ${myymin} ${myymax} ${myzmin} ${myzmax} 		units box
region          plate block 		0 0.019750000000000000194 ${myymin} ${myymax} ${myzmin} ${myzmax} 		units box
region          plate block 		0 0.019750000000000000194 0 ${myymax} ${myzmin} ${myzmax} 		units box
region          plate block 		0 0.019750000000000000194 0 0.015750000000000000111 ${myzmin} ${myzmax} 		units box
region          plate block 		0 0.019750000000000000194 0 0.015750000000000000111 0 ${myzmax} 		units box
region          plate block 		0 0.019750000000000000194 0 0.015750000000000000111 0 0.012250000000000000472 		units box
create_box      3 plate
Created orthogonal box = (0 0 0) to (0.01975 0.01575 0.01225)
  1 by 1 by 1 MPI processor grid
create_atoms    1 region plate
Created 32000 atoms


pair_style      peri/pmb
variable	myk equal (2.0/3.0)*${myE}
variable	myk equal (2.0/3.0)*72000000000

variable	myc equal ((18.0*${myk})/(${pi}*(${delta}^4)))
variable	myc equal ((18.0*48000000000)/(${pi}*(${delta}^4)))
variable	myc equal ((18.0*48000000000)/(3.141592653589793116*(${delta}^4)))
variable	myc equal ((18.0*48000000000)/(3.141592653589793116*(0.0015000000000000000312^4)))
variable	mydelta equal (${delta}+(${delta}/100.0))
variable	mydelta equal (0.0015000000000000000312+(${delta}/100.0))
variable	mydelta equal (0.0015000000000000000312+(0.0015000000000000000312/100.0))
variable	mys0 equal sqrt((5.0*${myG})/(9.0*${myk}*${delta}))
variable	mys0 equal sqrt((5.0*135)/(9.0*${myk}*${delta}))
variable	mys0 equal sqrt((5.0*135)/(9.0*48000000000*${delta}))
variable	mys0 equal sqrt((5.0*135)/(9.0*48000000000*0.0015000000000000000312))

variable	tmpvar1 equal ${myymax}-${crackheight}
variable	tmpvar1 equal 0.015750000000000000111-${crackheight}
variable	tmpvar1 equal 0.015750000000000000111-0.0050000000000000001041
variable	tmpvar2 equal 0.5*${width}
variable	tmpvar2 equal 0.5*0.019750000000000000194

region		topleft  block 		0.0 ${tmpvar2} ${tmpvar1} ${myymax} ${myzmin} ${myzmax} 		units box
region		topleft  block 		0.0 0.0098750000000000000971 ${tmpvar1} ${myymax} ${myzmin} ${myzmax} 		units box
region		topleft  block 		0.0 0.0098750000000000000971 0.01074999999999999914 ${myymax} ${myzmin} ${myzmax} 		units box
region		topleft  block 		0.0 0.0098750000000000000971 0.01074999999999999914 0.015750000000000000111 ${myzmin} ${myzmax} 		units box
region		topleft  block 		0.0 0.0098750000000000000971 0.01074999999999999914 0.015750000000000000111 0 ${myzmax} 		units box
region		topleft  block 		0.0 0.0098750000000000000971 0.01074999999999999914 0.015750000000000000111 0 0.012250000000000000472 		units box
region		topright block 		${tmpvar2} ${myxmax} ${tmpvar1} ${myymax} ${myzmin} ${myzmax} 		units box
region		topright block 		0.0098750000000000000971 ${myxmax} ${tmpvar1} ${myymax} ${myzmin} ${myzmax} 		units box
region		topright block 		0.0098750000000000000971 0.019750000000000000194 ${tmpvar1} ${myymax} ${myzmin} ${myzmax} 		units box
region		topright block 		0.0098750000000000000971 0.019750000000000000194 0.01074999999999999914 ${myymax} ${myzmin} ${myzmax} 		units box
region		topright block 		0.0098750000000000000971 0.019750000000000000194 0.01074999999999999914 0.015750000000000000111 ${myzmin} ${myzmax} 		units box
region		topright block 		0.0098750000000000000971 0.019750000000000000194 0.01074999999999999914 0.015750000000000000111 0 ${myzmax} 		units box
region		topright block 		0.0098750000000000000971 0.019750000000000000194 0.01074999999999999914 0.015750000000000000111 0 0.012250000000000000472 		units box
set 		region topleft  type 2
  5000 settings made for type
set 		region topright type 3
  5000 settings made for type
pair_coeff      1 1 ${myc} ${mydelta} ${mys0} 0.0
pair_coeff      1 1 5.4324887242033602757e+22 ${mydelta} ${mys0} 0.0
pair_coeff      1 1 5.4324887242033602757e+22 0.0015150000000000000706 ${mys0} 0.0
pair_coeff      1 1 5.4324887242033602757e+22 0.0015150000000000000706 0.0010206207261596576558 0.0
pair_coeff      2 2 ${myc} ${mydelta} ${mys0} 0.0
pair_coeff      2 2 5.4324887242033602757e+22 ${mydelta} ${mys0} 0.0
pair_coeff      2 2 5.4324887242033602757e+22 0.0015150000000000000706 ${mys0} 0.0
pair_coeff      2 2 5.4324887242033602757e+22 0.0015150000000000000706 0.0010206207261596576558 0.0
pair_coeff      3 3 ${myc} ${mydelta} ${mys0} 0.0
pair_coeff      3 3 5.4324887242033602757e+22 ${mydelta} ${mys0} 0.0
pair_coeff      3 3 5.4324887242033602757e+22 0.0015150000000000000706 ${mys0} 0.0
pair_coeff      3 3 5.4324887242033602757e+22 0.0015150000000000000706 0.0010206207261596576558 0.0
pair_coeff      2 3 ${myc}        0.0 ${mys0} 0.0
pair_coeff      2 3 5.4324887242033602757e+22        0.0 ${mys0} 0.0
pair_coeff      2 3 5.4324887242033602757e+22        0.0 0.0010206207261596576558 0.0
pair_coeff      1 2 ${myc} ${mydelta} ${mys0} 0.0
pair_coeff      1 2 5.4324887242033602757e+22 ${mydelta} ${mys0} 0.0
pair_coeff      1 2 5.4324887242033602757e+22 0.0015150000000000000706 ${mys0} 0.0
pair_coeff      1 2 5.4324887242033602757e+22 0.0015150000000000000706 0.0010206207261596576558 0.0
pair_coeff      1 3 ${myc} ${mydelta} ${mys0} 0.0
pair_coeff      1 3 5.4324887242033602757e+22 ${mydelta} ${mys0} 0.0
pair_coeff      1 3 5.4324887242033602757e+22 0.0015150000000000000706 ${mys0} 0.0
pair_coeff      1 3 5.4324887242033602757e+22 0.0015150000000000000706 0.0010206207261596576558 0.0
set             group all density ${mydensity}
set             group all density 2440
  32000 settings made for density
variable	myvolume equal ($h)^3
variable	myvolume equal (0.00050000000000000001041)^3
set             group all volume ${myvolume}
set             group all volume 1.2500000000000000779e-10
  32000 settings made for volume

velocity        all set 0.0 0.0 0.0 sum no units box

fix             F1 all nve

compute         C1 all damage/atom

velocity 	all ramp vx -10.0 10.0 x ${myxmin} ${myxmax} units box
velocity 	all ramp vx -10.0 10.0 x 0 ${myxmax} units box
velocity 	all ramp vx -10.0 10.0 x 0 0.019750000000000000194 units box

variable	mystep equal 		0.8*sqrt((2.0*${mydensity})/(512*(${myc}/$h)*${myvolume}))
variable	mystep equal 		0.8*sqrt((2.0*2440)/(512*(${myc}/$h)*${myvolume}))
variable	mystep equal 		0.8*sqrt((2.0*2440)/(512*(5.4324887242033602757e+22/$h)*${myvolume}))
variable	mystep equal 		0.8*sqrt((2.0*2440)/(512*(5.4324887242033602757e+22/0.00050000000000000001041)*${myvolume}))
variable	mystep equal 		0.8*sqrt((2.0*2440)/(512*(5.4324887242033602757e+22/0.00050000000000000001041)*1.2500000000000000779e-10))
timestep        ${mystep}
timestep        2.1193149239622597698e-08
thermo		20

run             100
Peridynamic bonds:
  total # of bonds = 3457032
  bonds/atom = 108.032
Memory usage per processor = 145.482 Mbytes
Step Temp E_pair E_mol TotEng Press Volume 
       0 2.0134233e+27            0            0 1.3342785e+09 2.4509971e+14 3.6292128e-06 
      20 1.7695805e+27 1.6163291e+08            0 1.3343188e+09 2.1541601e+14 3.6292128e-06 
      40 1.3041477e+27 4.6848143e+08            0 1.332729e+09 1.5875756e+14 3.6292128e-06 
      60 9.8975313e+26 5.7284448e+08            0 1.2287455e+09 1.2048543e+14 3.6292128e-06 
      80 9.3888573e+26 4.0928092e+08            0 1.0314725e+09 1.1429321e+14 3.6292128e-06 
     100 8.3930314e+26 3.8522361e+08            0 9.4142265e+08 1.0217075e+14 3.6292128e-06 
Loop time of 23.8636 on 1 procs for 100 steps with 32000 atoms

Pair  time (%) = 23.7778 (99.6409)
Neigh time (%) = 0 (0)
Comm  time (%) = 9.84669e-05 (0.000412625)
Outpt time (%) = 0.000550747 (0.0023079)
Other time (%) = 0.0850549 (0.356422)

Nlocal:    32000 ave 32000 max 32000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:    6.74442e+06 ave 6.74442e+06 max 6.74442e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  1.34888e+07 ave 1.34888e+07 max 1.34888e+07 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 13488836
Ave neighs/atom = 421.526
Neighbor list builds = 0
Dangerous builds = 0
